#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -2.72609288594057     -1.48560121067500      1.74651733859105
  H          -1.78668481772627     -1.95478666986904      1.45169800448637
  H          -3.47892120020530     -2.27489956083065      1.81218524453389
  C          -3.14466491556956     -0.55201208815084      0.69220363609910
  C          -3.61949646384953      0.26319668742243     -0.08124268905475
  H          -4.21890444490522      0.94705337169709     -0.64973820661335
  C          -2.24123711680004      1.64910421439871      3.42567572180543
  H          -1.64999513581310      2.55883692530227      3.41940286556428
  H          -3.26423087415356      1.72462727252124      3.78048259356818
  C          -1.73792192912471      0.47785934300096      3.03302858065912
  C          -2.58542546995709     -0.77102865287988      3.10229660006836
  H          -2.15365025951101     -1.49001424536416      3.80377532660019
  H          -3.57638037720746     -0.50735562169789      3.47499925122742
  Au         -1.53852085483647      0.00969572909733     -0.86530576852364
  P           0.25420404600096      0.10187179727708     -2.28207856299632
  C          -0.21693138401549     -0.38681595442416     -3.95746466147724
  C           0.95322962015219      1.75856967456107     -2.44736603544217
  C           1.61730847152421     -0.99387101147731     -1.83414143639148
  H           1.25671409678621     -2.02373139327832     -1.81094578270085
  H           2.41227095575487     -0.90124330921824     -2.57769217393942
  H           1.99758462443141     -0.72789875101152     -0.85008379520881
  H          -0.58925634135818     -1.41257034581457     -3.94518355481378
  H           0.65074049963850     -0.32082847250604     -4.61817895315142
  H          -1.00520215222296      0.27342341038325     -4.32288195558497
  H           0.18854438859068      2.42814749854562     -2.84562923287515
  H           1.80600651869551      1.73262135371822     -3.12969922497944
  H           1.27086666323492      2.12405162776234     -1.47123431167655
  C          -0.36133487802990      0.35061117528058      2.49076847102894
  C           0.38955270824113     -0.81542977340275      2.65905670758805
  C           0.24452750097889      1.39862606724915      1.79020670749122
  C           1.68285222256951     -0.93248396537578      2.17748668947032
  H          -0.03582188867888     -1.65988537601240      3.19116090134260
  C           1.53839368162930      1.30850717254143      1.30929574766744
  H          -0.31486525438813      2.31040345314424      1.60854732849984
  C           2.29480929330039      0.13354694058228      1.48998788293785
  H           2.22111690028298     -1.85916194551631      2.33087612866584
  H           1.96610468545481      2.15175376725610      0.78245872372615
  N           3.55884819390597      0.02129176801272      0.98877265146792
  C           4.16012408412786      1.00483587602780      0.09050336485232
  C           4.36493399546807     -1.18841792771437      1.11394020178436
  H           3.43833868378158      1.34289463492812     -0.65801799547354
  H           4.50604687930342      1.88370598215340      0.64818610069477
  C           5.32628047375785      0.24490434133442     -0.54292849038077
  H           4.43960383113574     -1.50317720115886      2.15794911876085
  H           3.92274153016593     -2.01507312512966      0.54053002117589
  C           5.71409285637265     -0.76992981067713      0.53411570896850
  H           4.97993735300304     -0.27890091261055     -1.43853252220487
  H           6.14505580170723      0.90709366381092     -0.82720559683068
  H           6.31384471811160     -0.28417508784935      1.30891806665503
  H           6.27701033618600     -1.61872444536402      0.14363040433791
*

